SCHEMBL16616261

SCHEMBL16616261

COc1ccc(C(=O)C=Cc2cccnc2Nc2ccc(O)cc2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.49
MAOB P27338 1/20 0.49
CTSL P07711 5/20 0.48
CTSB P07858 5/20 0.48
TDP1 Q9NUW8 1/20 0.47
ABCG2 Q9UNQ0 3/20 0.44
ABCB1 P08183 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
DPP4 P27487 3/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 1/20 0.43
PTPN1 P18031 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16616259 1.00 CAPN1 (0.49) CAPN1MAOBCTSLCTSBTDP1
SCHEMBL16616371 0.92 MAOB (0.49) MAOBABCG2ABCB1RELAMAPT
SCHEMBL16616374 0.92 MAOB (0.49) MAOBABCG2ABCB1RELAMAPT
SCHEMBL16616463 0.92 ABCG2 (0.47) MAOBABCG2ABCB1NR1H4RELA
SCHEMBL16616464 0.92 ABCG2 (0.47) MAOBABCG2ABCB1NR1H4RELA
SCHEMBL16616113 0.91 MAPT (0.50) CTSLCTSBABCG2ABCB1DPP4
SCHEMBL16616111 0.91 MAPT (0.50) CTSLCTSBABCG2ABCB1DPP4
SCHEMBL16616566 0.91 RELA (0.51) CTSLCTSBABCG2ABCB1RELA
SCHEMBL16616563 0.91 RELA (0.51) CTSLCTSBABCG2ABCB1RELA
SCHEMBL16616284 0.91 ABCG2 (0.49) ABCG2ABCB1RELAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof HCCS, WEE2, WEE1 CAPN1 3539/4885MAOB 2125/4885CTSL 2829/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.